REMARK Name = BDB024976 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.958 1.123 -1.063 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.083 0.060 -0.777 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.551 -1.342 -0.911 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.574 -1.697 0.184 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.443 -2.406 -0.859 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.211 -1.932 -1.593 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.740 -0.679 -0.916 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.370 -0.426 -0.694 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.289 -1.215 -0.990 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.779 -0.548 -0.601 0.00 0.00 +0.116 A ATOM 11 N LIG 1 -0.420 0.667 -0.042 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.960 0.758 -0.096 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.874 1.734 0.308 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.233 1.479 0.077 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.685 0.299 -0.531 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.686 2.318 -1.032 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.292 1.698 0.520 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.211 2.346 -0.523 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.989 3.527 0.063 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.547 3.272 1.474 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.454 1.805 1.901 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.038 1.233 1.786 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -2.851 4.143 2.499 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.660 4.401 2.544 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.692 4.607 3.442 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.123 5.136 4.040 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.119 1.727 -1.773 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.198 0.686 -1.442 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.180 -1.083 -0.743 0.00 0.00 +0.073 C ATOM 30 C LIG 1 -2.574 -1.096 -2.224 0.00 0.00 +0.017 C BRANCH 29 31 ATOM 31 C LIG 1 -2.256 -2.490 -0.125 0.00 0.00 +0.154 C BRANCH 31 32 ATOM 32 N LIG 1 -3.573 -2.773 0.423 0.00 0.00 -0.271 N ATOM 33 N LIG 1 -4.601 -3.053 -0.396 0.00 0.00 -0.176 NA ATOM 34 C LIG 1 -5.636 -3.245 0.431 0.00 0.00 +0.060 A ATOM 35 C LIG 1 -6.971 -3.592 -0.112 0.00 0.00 +0.067 C ATOM 36 C LIG 1 -5.261 -3.071 1.782 0.00 0.00 +0.044 A ATOM 37 C LIG 1 -3.922 -2.765 1.743 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7